- InChI
- InChI=1S/C34H26N6O6S2/c35-29-15-17-31(27-7-3-1-5-25(27)29)39-37-23-13-11-21(33(19-23)47(41,42)43)9-10-22-12-14-24(20-34(22)48(44,45)46)38-40-32-18-16-30(36)26-6-2-4-8-28(26)32/h1-20H,35-36H2,(H,41,42,43)(H,44,45,46)/b10-9+,39-37+,40-38+
- InChI Key
- BEOHKTZPLVXCFG-NKPXSSHVSA-N
- Formula
- C34H26N6O6S2
- SMILES
-
Nc1ccc(N=Nc2ccc(C=Cc3ccc(N=Nc4
ccc(N)c5ccccc45)cc3S(=O)(=O)O) c(S(=O)(=O)O)c2)c2ccccc12 - Molecular Weight1
- 678.74
- CAS
- 5463-64-9
- Other Names
-
- 4,4'-bis[(4-amino-1-naphthyl)azo]stilbene-2,2'-disulphonic acid
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 1.7713 | Relay (1.0) Calculated Property | |
| ΔfG° | 244.35 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -88.02 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 260.84 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 6.80 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.99 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.652 | Crippen Calculated Property | |
| McVol | 470.860 | ml/mol | McGowan Calculated Property |
| Pc | 1421.85 | kPa | Joback Calculated Property |
| Tboil | 1036.52 | K | Relay (1.0) Calculated Property |
| Tc | 1652.93 | K | Relay (1.0) Calculated Property |
| Tfus | 656.03 | K | Relay (1.0) Calculated Property |
| Vc | 1.606 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 4,4'-Bis(4-amino-1-naphthylazo)-2,2'-stilbenedisulfonic acid.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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